5-bromo-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]furan-2-carboxamide

C16H15BrN4O2 — CID 86266211

IUPAC5-bromo-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]furan-2-carboxamide
SMILESCc1cc(-c2ccncc2)nn1CCNC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H15BrN4O2/c1-11-10-13(12-4-6-18-7-5-12)20-21(11)9-8-19-16(22)14-2-3-15(17)23-14/h2-7,10H,8-9H2,1H3,(H,19,22)
InChIKeyHZPJMVCXUDUEGW-UHFFFAOYSA-N
MW375.23 g/mol
LogP3.04
Rot. Bonds5

About 5-bromo-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]furan-2-carboxamide

5-bromo-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]furan-2-carboxamide (PubChem CID 86266211) has the molecular formula C16H15BrN4O2 and a molecular weight of 375.23 g/mol. Its IUPAC name is 5-bromo-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]furan-2-carboxamide
PubChem CID86266211
Molecular FormulaC16H15BrN4O2
Molecular Weight375.23 g/mol
Exact Mass374.04
IUPAC Name5-bromo-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]furan-2-carboxamide
SMILESCc1cc(-c2ccncc2)nn1CCNC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H15BrN4O2/c1-11-10-13(12-4-6-18-7-5-12)20-21(11)9-8-19-16(22)14-2-3-15(17)23-14/h2-7,10H,8-9H2,1H3,(H,19,22)
InChIKeyHZPJMVCXUDUEGW-UHFFFAOYSA-N
XLogP3.04
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]furan-2-carboxamide
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5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide
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5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide
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5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 121169574
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
5-bromo-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
CID 103883547
(5-methyl-3-pyridin-4-ylpyrazol-1-yl)methanol
CID 121211815
N-[3-[(5-bromofuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 131990274
N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 86266238
5-bromo-N-[2-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 55834377

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]furan-2-carboxamide (CID 86266211) is 5-bromo-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]furan-2-carboxamide is Cc1cc(-c2ccncc2)nn1CCNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]furan-2-carboxamide?
The InChIKey is HZPJMVCXUDUEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O2/c1-11-10-13(12-4-6-18-7-5-12)20-21(11)9-8-19-16(22)14-2-3-15(17)23-14/h2-7,10H,8-9H2,1H3,(H,19,22).
What are the key properties of 5-bromo-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]furan-2-carboxamide?
5-bromo-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]furan-2-carboxamide has a molecular weight of 375.23 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 86266211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).